N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C100H122F2N22O13S4 — CID 158608552

About N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 158608552) has the molecular formula C100H122F2N22O13S4 and a molecular weight of 2006.48 g/mol. Its IUPAC name is N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 158608552
• Molecular Formula: C100H122F2N22O13S4
• Molecular Weight: 2006.48 g/mol
• Exact Mass: 2004.84
• IUPAC Name: N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)Cn1ccc(-c2cnc(N3CC(C)CC3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)n1.CC1CN(c2ncc(-c3ccc(C#N)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)c2)C(C)(C)C1.CCC(CC)CNc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1.COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)c(F)c1F
• InChI: InChI=1S/C26H27N5O3S.C25H27F2N5O4S.C25H33N7O3S.C24H35N5O3S/c1-17-13-26(2,3)31(16-17)24-23(11-20(15-29-24)19-9-7-18(14-27)8-10-19)25(32)30-35(33,34)22-6-4-5-21(28)12-22;1-14-12-25(2,3)32(13-14)23-16(24(33)31-37(34,35)19-6-5-11-29-22(19)28)7-9-17(30-23)15-8-10-18(36-4)21(27)20(15)26;1-16(2)14-31-10-9-20(29-31)18-11-19(23(27-13-18)32-15-17(3)12-25(32,4)5)24(33)30-36(34,35)22-8-6-7-21(26)28-22;1-6-18(7-2)15-26-20-11-8-12-21(27-20)33(31,32)28-23(30)19-10-9-13-25-22(19)29-16-17(3)14-24(29,4)5/h4-12,15,17H,13,16,28H2,1-3H3,(H,30,32);5-11,14H,12-13H2,1-4H3,(H2,28,29)(H,31,33);6-11,13,16-17H,12,14-15H2,1-5H3,(H2,26,28)(H,30,33);8-13,17-18H,6-7,14-16H2,1-5H3,(H,26,27)(H,28,30)/t;14-;;/m.0../s1
• InChIKey: HWNTYXFSSBMLDZ-IGTLABLOSA-N
• XLogP: 15.09
• TPSA: 497.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2006.48
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 158608552) is N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)Cn1ccc(-c2cnc(N3CC(C)CC3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)n1.CC1CN(c2ncc(-c3ccc(C#N)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)c2)C(C)(C)C1.CCC(CC)CNc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CC(C)CC2(C)C)n1.COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)c(F)c1F.

What is the InChIKey of N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is HWNTYXFSSBMLDZ-IGTLABLOSA-N. The full InChI is InChI=1S/C26H27N5O3S.C25H27F2N5O4S.C25H33N7O3S.C24H35N5O3S/c1-17-13-26(2,3)31(16-17)24-23(11-20(15-29-24)19-9-7-18(14-27)8-10-19)25(32)30-35(33,34)22-6-4-5-21(28)12-22;1-14-12-25(2,3)32(13-14)23-16(24(33)31-37(34,35)19-6-5-11-29-22(19)28)7-9-17(30-23)15-8-10-18(36-4)21(27)20(15)26;1-16(2)14-31-10-9-20(29-31)18-11-19(23(27-13-18)32-15-17(3)12-25(32,4)5)24(33)30-36(34,35)22-8-6-7-21(26)28-22;1-6-18(7-2)15-26-20-11-8-12-21(27-20)33(31,32)28-23(30)19-10-9-13-25-22(19)29-16-17(3)14-24(29,4)5/h4-12,15,17H,13,16,28H2,1-3H3,(H,30,32);5-11,14H,12-13H2,1-4H3,(H2,28,29)(H,31,33);6-11,13,16-17H,12,14-15H2,1-5H3,(H2,26,28)(H,30,33);8-13,17-18H,6-7,14-16H2,1-5H3,(H,26,27)(H,28,30)/t;14-;;/m.0../s1.

What are the key properties of N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 2006.48 g/mol, XLogP of 15.09, 27 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminophenyl)sulfonyl-5-(4-cyanophenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluoro-4-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[1-(2-methylpropyl)pyrazol-3-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-(2-ethylbutylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158608552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).